SCHEMBL6608596

SCHEMBL6608596

COC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
PDE10A Q9Y233 4/20 0.39
FAAH O00519 6/20 0.38
ALPL P05186 2/20 0.37
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
FCER2 P06734 1/20 0.37
MMP3 P08254 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6608597 1.00 KMT2A (0.41) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6604910 0.90 HPGD (0.46) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6399546 0.89 MMP2 (0.36) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6607278 0.88 CYP1A2 (0.42) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6607276 0.88 CYP1A2 (0.42) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6611575 0.86 CYP1A2 (0.41) KMT2AKDM4ESMN1; SMN2CYP1A2PDE10A
SCHEMBL6608483 0.86 MMP2 (0.45) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6611578 0.86 CYP1A2 (0.41) KMT2AKDM4ESMN1; SMN2CYP1A2PDE10A
SCHEMBL6608479 0.86 MMP2 (0.45) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6400327 0.86 CYP1A2 (0.38) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed